Size effect of oxygen reduction reaction on nitrogen-doped graphene quantum dots. Issue 1 (2nd January 2018)

• Record Type: Journal Article
• Authors: Zhang, Peng; Hu, Qiang; Yang, Xuejing; Hou, Xiuli; Mi, Jianli; Liu, Lei; Dong, Mingdong
• Is Part Of: RSC advances. Volume 8:Issue 1(2018)
• Page Start: 531
• Page End: 536
• Publication Date: 2018-01-02
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c7ra10104j
• Languages: English
• ISSNs: 2046-2069

Abstract

Abstract : The adsorption strength of ORR intermediates, the reaction free energy of rate-determining step, and the overpotential increase with the increase of the size of N-doped graphene quantum dots. Abstract : N-doped graphene quantum dots (GQDs) are attracting great interest as promising Pt-free oxygen reduction reaction (ORR) catalysts. In this work, the mechanism of ORR on N-doped GQDs with three different sizes has been investigated based on density functional theory. Our results show that the size of the N-doped GQDs affects the ORR. The adsorption strength of ORR intermediates, the reaction free energy of the rate-determining step, and the overpotential increase with the increase of the size of N-doped GQDs. The N-doped GQDs with the smallest size possess the smallest overpotential, indicating the highest ORR catalytic activity. Our results will help to understand the size effect of N-doped GQDs on the catalytic activity of ORR.